SCHEMBL846652

SCHEMBL846652

CC(C)(C)c1ccc2nc(C(C)(C)C)[nH]c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 13/20 0.78
KCNH2 Q12809 1/20 0.78
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
METAP2 P50579 1/20 0.54
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
CHUK O15111 1/20 0.50
PDPK1 O15530 1/20 0.50
JAK2 O60674 1/20 0.50
ROCK2 O75116 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
CHEK2 O96017 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
PRKCG P05129 1/20 0.50
INSR P06213 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14336639 0.88 KCNH2 (0.62) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL15746239 0.86 SCN10A (0.60) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL846855 0.85 SCN10A (0.58) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL19887995 0.84 SCN10A (0.57) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL15746214 0.83 SCN10A (0.56) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3269719 0.81 ALDH1A1 (0.58) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL805057 0.81 GAA (0.68) SCN10AKCNH2ALDH1A1METAP2PLK4
SCHEMBL9058427 0.81 HDAC6 (0.62) SCN10AKCNH2ALDH1A1SMN1; SMN2METAP2
SCHEMBL22326618 0.81 SCN10A (0.55) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL17085004 0.81 HPGD (0.61) SCN10AKCNH2ALDH1A1SMN1; SMN2METAP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-20220021012-A1 ELECTROLYTE MEMBRANE FOR MEMBRANE-ELECTRODE ASSEMBLY COMPRISING FILLER IMPROVING ION CONDUCTIVITY KIA MOTORS CORPORATION (KR) 2022-01-20 US disclosed
US-11130749-B2 2021-09-28 US disclosed
US-20210252011-A1 TREATMENT OF GLIOBLASTOMA WITH FASN INHIBITORS CORNELL UNIVERSITY 2021-08-19 US disclosed
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2021-07-15 US disclosed
US-10995078-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2021-05-04 US disclosed
US-20200347025-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2020-11-05 US disclosed
US-10800750-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2020-10-13 US disclosed
US-10472342-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-11-12 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, CYP51A1, WEE2 SCN10A 4501/4885KCNH2 4401/4885ALDH1A1 252/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885KCNH2 4523/4885ALDH1A1 2858/4885
US-20200347025-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD SCN10A 1189/4885KCNH2 2077/4885ALDH1A1 1393/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885KCNH2 4523/4885ALDH1A1 2858/4885
US-10472342-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD SCN10A 1189/4885KCNH2 2077/4885ALDH1A1 1393/4885
US-20210252011-A1 TREATMENT OF GLIOBLASTOMA WITH FASN INHIBITORS AIFM2, FABP7, FASN SCN10A 3849/4885KCNH2 4818/4885ALDH1A1 2808/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA SCN10A 3860/4885KCNH2 4406/4885ALDH1A1 4501/4885
US-11130749-B2 ROCK1, RHOA, ROCK2 SCN10A 3496/4885KCNH2 4410/4885ALDH1A1 4171/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS SCN10A 4182/4885KCNH2 4811/4885ALDH1A1 2177/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 SCN10A 1246/4885KCNH2 296/4885ALDH1A1 800/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885KCNH2 4228/4885ALDH1A1 3957/4885
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD SCN10A 1232/4885KCNH2 2846/4885ALDH1A1 1643/4885
US-10995078-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD SCN10A 1189/4885KCNH2 2077/4885ALDH1A1 1393/4885
US-10800750-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD SCN10A 1189/4885KCNH2 2077/4885ALDH1A1 1393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.